[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[2-fluoro-4-(trifluoromethyl)phenyl]methanol

C34H45F4NO3Si — CID 77227760

About [5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[2-fluoro-4-(trifluoromethyl)phenyl]methanol

[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[2-fluoro-4-(trifluoromethyl)phenyl]methanol (PubChem CID 77227760) has the molecular formula C34H45F4NO3Si and a molecular weight of 619.82 g/mol. Its IUPAC name is [5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[2-fluoro-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

• Compound Name: [5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[2-fluoro-4-(trifluoromethyl)phenyl]methanol
• PubChem CID: 77227760
• Molecular Formula: C34H45F4NO3Si
• Molecular Weight: 619.82 g/mol
• Exact Mass: 619.31
• IUPAC Name: [5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[2-fluoro-4-(trifluoromethyl)phenyl]methanol
• SMILES: CC(C)c1nc2c(c(C3=CCOCC3)c1C(O)c1ccc(C(F)(F)F)cc1F)C(O[Si](C)(C)C(C)(C)C)CC1(CCC1)C2
• InChI: InChI=1S/C34H45F4NO3Si/c1-20(2)30-29(31(40)23-10-9-22(17-24(23)35)34(36,37)38)27(21-11-15-41-16-12-21)28-25(39-30)18-33(13-8-14-33)19-26(28)42-43(6,7)32(3,4)5/h9-11,17,20,26,31,40H,8,12-16,18-19H2,1-7H3
• InChIKey: YIPYBEUIEQQJJL-UHFFFAOYSA-N
• XLogP: 9.43
• TPSA: 51.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.82
LogP ≤ 5	9.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[2-fluoro-4-(trifluoromethyl)phenyl]methanol?

The IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[2-fluoro-4-(trifluoromethyl)phenyl]methanol (CID 77227760) is [5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[2-fluoro-4-(trifluoromethyl)phenyl]methanol.

What is the SMILES notation for [5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[2-fluoro-4-(trifluoromethyl)phenyl]methanol?

The canonical SMILES for [5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[2-fluoro-4-(trifluoromethyl)phenyl]methanol is CC(C)c1nc2c(c(C3=CCOCC3)c1C(O)c1ccc(C(F)(F)F)cc1F)C(O[Si](C)(C)C(C)(C)C)CC1(CCC1)C2.

What is the InChIKey of [5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[2-fluoro-4-(trifluoromethyl)phenyl]methanol?

The InChIKey is YIPYBEUIEQQJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45F4NO3Si/c1-20(2)30-29(31(40)23-10-9-22(17-24(23)35)34(36,37)38)27(21-11-15-41-16-12-21)28-25(39-30)18-33(13-8-14-33)19-26(28)42-43(6,7)32(3,4)5/h9-11,17,20,26,31,40H,8,12-16,18-19H2,1-7H3.

What are the key properties of [5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[2-fluoro-4-(trifluoromethyl)phenyl]methanol?

[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[2-fluoro-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 619.82 g/mol, XLogP of 9.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-2-propan-2-ylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]-[2-fluoro-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 77227760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).